CID 4457188

160436-48-6

Structural Information

Molecular Formula
C17H13F3N2O3
SMILES
CCOC(=O)C1=C(C2=C(O1)N=C(C=C2C(F)(F)F)C3=CC=CC=C3)N
InChI
InChI=1S/C17H13F3N2O3/c1-2-24-16(23)14-13(21)12-10(17(18,19)20)8-11(22-15(12)25-14)9-6-4-3-5-7-9/h3-8H,2,21H2,1H3
InChIKey
OUXBESBCKBNZFK-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.08783 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09511 179.6
[M+Na]+ 373.07705 189.7
[M+NH4]+ 368.12165 183.8
[M+K]+ 389.05099 186.5
[M-H]- 349.08055 179.1
[M+Na-2H]- 371.06250 183.2
[M]+ 350.08728 180.6
[M]- 350.08838 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.